REMARK Name = BDB001403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.688 -1.169 0.294 0.00 0.00 -0.268 N ATOM 2 C LIG 1 0.228 -1.174 0.054 0.00 0.00 +0.142 C ATOM 3 C LIG 1 -0.200 -2.388 0.861 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.876 -2.887 1.588 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.784 -3.993 2.414 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.449 -4.640 2.488 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.541 -4.180 1.733 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.420 -3.056 0.907 0.00 0.00 +0.008 A ATOM 9 C LIG 1 2.056 -2.086 1.273 0.00 0.00 +0.249 C ATOM 10 O LIG 1 3.139 -2.230 1.808 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.084 -1.392 -1.437 0.00 0.00 -0.005 A ATOM 12 C LIG 1 -1.087 -0.687 -2.124 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.355 -0.931 -3.475 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -0.634 -1.897 -4.170 0.00 0.00 +0.000 A ATOM 15 C LIG 1 0.352 -2.624 -3.514 0.00 0.00 +0.000 A ATOM 16 C LIG 1 0.620 -2.379 -2.165 0.00 0.00 +0.007 A ENDBRANCH 2 11 BRANCH 2 17 ATOM 17 N LIG 1 -0.179 0.125 0.605 0.00 0.00 -0.281 NA ATOM 18 H LIG 1 0.444 0.291 1.405 0.00 0.00 +0.125 HD BRANCH 17 19 ATOM 19 CA LIG 1 -1.551 0.285 1.164 0.00 0.00 +0.114 C BRANCH 19 20 ATOM 20 C LIG 1 -1.946 1.792 0.983 0.00 0.00 +0.164 C BRANCH 20 21 ATOM 21 C LIG 1 -3.423 2.053 1.196 0.00 0.00 -0.018 A ATOM 22 C LIG 1 -3.861 2.730 2.344 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -5.223 2.950 2.564 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.161 2.499 1.639 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.740 1.833 0.490 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.380 1.612 0.269 0.00 0.00 +0.006 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 O LIG 1 -1.608 2.215 -0.346 0.00 0.00 -0.386 OA ATOM 28 H LIG 1 -0.712 1.846 -0.479 0.00 0.00 +0.210 HD ENDBRANCH 20 27 ENDBRANCH 19 20 BRANCH 19 29 ATOM 29 C LIG 1 -1.591 -0.066 2.673 0.00 0.00 +0.177 C BRANCH 29 30 ATOM 30 O LIG 1 -0.481 0.549 3.332 0.00 0.00 -0.393 OA ATOM 31 H LIG 1 -0.504 0.255 4.261 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 19 29 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 32 ATOM 32 C LIG 1 2.617 -0.100 -0.085 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 C LIG 1 2.427 0.542 -1.460 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 O LIG 1 3.374 1.613 -1.644 0.00 0.00 -0.460 OA BRANCH 34 35 ATOM 35 C LIG 1 4.593 1.243 -2.110 0.00 0.00 +0.334 C ATOM 36 O LIG 1 4.940 0.100 -2.365 0.00 0.00 -0.245 OA BRANCH 35 38 ATOM 37 C LIG 1 6.724 2.254 -2.692 0.00 0.00 +0.019 C ATOM 38 C LIG 1 5.465 2.443 -2.261 0.00 0.00 +0.026 C ATOM 39 C LIG 1 4.917 3.796 -1.933 0.00 0.00 +0.050 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 13